(3R)-1-chlorooctan-3-amine

C8H18ClN — CID 102206796

IUPAC(3R)-1-chlorooctan-3-amine
SMILESCCCCC[C@@H](N)CCCl
InChIInChI=1S/C8H18ClN/c1-2-3-4-5-8(10)6-7-9/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyJDCUTEAWPKMBJI-MRVPVSSYSA-N
MW163.69 g/mol
LogP2.52
Rot. Bonds6

About (3R)-1-chlorooctan-3-amine

(3R)-1-chlorooctan-3-amine (PubChem CID 102206796) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is (3R)-1-chlorooctan-3-amine.

Molecular Properties

Compound Name(3R)-1-chlorooctan-3-amine
PubChem CID102206796
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name(3R)-1-chlorooctan-3-amine
SMILESCCCCC[C@@H](N)CCCl
InChIInChI=1S/C8H18ClN/c1-2-3-4-5-8(10)6-7-9/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyJDCUTEAWPKMBJI-MRVPVSSYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

pentacosan-7-amine
CID 88938409
1,13-dichlorotridecane-3,11-diamine
CID 139622947
nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
(4R)-tridecan-4-amine
CID 150614684
tridecan-3-amine
CID 19435959
icosane-5,10,16-triamine
CID 88870264
decan-4-amine;hydrochloride
CID 87728109
tritriactan-3-amine;hydrochloride
CID 173389490
tetradecan-3-amine;hydrobromide
CID 173393490
nonan-4-amine;hydrochloride
CID 86176929

Frequently Asked Questions

What is the IUPAC name of (3R)-1-chlorooctan-3-amine?
The IUPAC name of (3R)-1-chlorooctan-3-amine (CID 102206796) is (3R)-1-chlorooctan-3-amine.
What is the SMILES notation for (3R)-1-chlorooctan-3-amine?
The canonical SMILES for (3R)-1-chlorooctan-3-amine is CCCCC[C@@H](N)CCCl.
What is the InChIKey of (3R)-1-chlorooctan-3-amine?
The InChIKey is JDCUTEAWPKMBJI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-2-3-4-5-8(10)6-7-9/h8H,2-7,10H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-chlorooctan-3-amine?
(3R)-1-chlorooctan-3-amine has a molecular weight of 163.69 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-chlorooctan-3-amine is sourced from PubChem (CID 102206796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).